dimethyl 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(6,7-dihydroxy-2-oxo-chromen-4-yl)methylamino]benzene-1,4-dicarboxylate CAS Name: 2-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methylamino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6,7-dihydroxy-2-oxochromen-4-yl)methylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(6,7-dihydroxy-2-keto-chromen-4-yl)methylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NCC2=CC(=O)OC3=CC(=C(C=C23)O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NCC2=CC(=O)OC3=CC(=C(C=C23)O)O

InChI

InChI=1S/C20H17NO8/c1-27-19(25)10-3-4-12(20(26)28-2)14(5-10)21-9-11-6-18(24)29-17-8-16(23)15(22)7-13(11)17/h3-8,21-23H,9H2,1-2H3